69982815 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 6 6 7 7 8 8 9 10 10 11 11 12 13 14 15 15 15 16 9 26 13 27 14 28 5 6 8 10 11 7 17 9 15 12 18 12 14 19 13 20 21 16 16 22 23 24 25 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 3.732 2 5.4641 3.732 3.732 4.5981 4.5981 2.866 3.732 4.5981 2.866 2.866 2.866 4.5981 5.4641 3.732 5.135 2.3291 5.135 2.3291 2.3291 5.7741 6.001 5.1541 3.732 3.1951 2 5.4641 3.155 -2.845 -2.845 0.155 -0.845 0.655 1.655 0.655 2.155 -1.345 -1.345 1.655 -2.345 -2.345 2.155 -2.845 0.345 0.345 -1.035 -1.035 1.965 1.6181 2.465 2.6919 -3.465 3.465 -3.465 -3.465 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 7 8 9 10 11 13 14 6 8 10 11 7 9 12 12 14 13 16 16 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 221 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703000000000000000000000000000000000000000306000000000000000014000001A00000800000C0480980032068000020080022042000002000020200008880006088808272282111280700025C01508980780E0F40EA0000308000800004000061000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(4-hydroxy-3-methyl-phenyl)benzene-1,3-diol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(4-hydroxy-3-methylphenyl)benzene-1,3-diol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(4-hydroxy-3-methylphenyl)benzene-1,3-diol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(4-hydroxy-3-methylphenyl)benzene-1,3-diol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(3-methyl-4-oxidanyl-phenyl)benzene-1,3-diol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(4-hydroxy-3-methyl-phenyl)resorcinol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H12O3/c1-8-4-9(2-3-13(8)16)10-5-11(14)7-12(15)6-10/h2-7,14-16H,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 TZGPFENNKIQVDW-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 216.078644241 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H12O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 216.23 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=CC(=C1)C2=CC(=CC(=C2)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=CC(=C1)C2=CC(=CC(=C2)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 60.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 216.078644241 16 0 0 0 0 0 0 0 1 -1